7-chloro-1-(2-methylpropyl)indazol-5-amine

C11H14ClN3 — CID 90308746

IUPAC7-chloro-1-(2-methylpropyl)indazol-5-amine
SMILESCC(C)Cn1ncc2cc(N)cc(Cl)c21
InChIInChI=1S/C11H14ClN3/c1-7(2)6-15-11-8(5-14-15)3-9(13)4-10(11)12/h3-5,7H,6,13H2,1-2H3
InChIKeyRTBYAMYXRFVAHZ-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.93
Rot. Bonds2

About 7-chloro-1-(2-methylpropyl)indazol-5-amine

7-chloro-1-(2-methylpropyl)indazol-5-amine (PubChem CID 90308746) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 7-chloro-1-(2-methylpropyl)indazol-5-amine.

Molecular Properties

Compound Name7-chloro-1-(2-methylpropyl)indazol-5-amine
PubChem CID90308746
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name7-chloro-1-(2-methylpropyl)indazol-5-amine
SMILESCC(C)Cn1ncc2cc(N)cc(Cl)c21
InChIInChI=1S/C11H14ClN3/c1-7(2)6-15-11-8(5-14-15)3-9(13)4-10(11)12/h3-5,7H,6,13H2,1-2H3
InChIKeyRTBYAMYXRFVAHZ-UHFFFAOYSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-chloro-1-(2-methylpropyl)indazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-methylpropyl)indazol-5-amine?
The IUPAC name of 7-chloro-1-(2-methylpropyl)indazol-5-amine (CID 90308746) is 7-chloro-1-(2-methylpropyl)indazol-5-amine.
What is the SMILES notation for 7-chloro-1-(2-methylpropyl)indazol-5-amine?
The canonical SMILES for 7-chloro-1-(2-methylpropyl)indazol-5-amine is CC(C)Cn1ncc2cc(N)cc(Cl)c21.
What is the InChIKey of 7-chloro-1-(2-methylpropyl)indazol-5-amine?
The InChIKey is RTBYAMYXRFVAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-7(2)6-15-11-8(5-14-15)3-9(13)4-10(11)12/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 7-chloro-1-(2-methylpropyl)indazol-5-amine?
7-chloro-1-(2-methylpropyl)indazol-5-amine has a molecular weight of 223.71 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-methylpropyl)indazol-5-amine is sourced from PubChem (CID 90308746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).